SCHEMBL5016283

SCHEMBL5016283

CCC(C)OC(=O)CCSCCC(=O)OC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
LMNA P02545 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12314656 0.94 LMNA (0.39) EPHX2LMNACA12CA1CA2
SCHEMBL5016284 0.93 LMNA (0.50) EPHX2LMNACA12CA1CA2
SCHEMBL18431843 0.92 TSHR (0.39) EPHX2LMNACA12CA1CA2
SCHEMBL26220867 0.86 EPHX2 (0.38) EPHX2LMNACA12CA1CA2
SCHEMBL645070 0.84 CA12 (0.45) EPHX2LMNACA12CA1CA2
SCHEMBL800744 0.83 EPHX2 (0.36) EPHX2LMNACA12CA1CA2
SCHEMBL2980900 0.80 ALDH1A1 (0.50) EPHX2LMNACA12CA1CA2
SCHEMBL6231000 0.80 LMNA (0.52) EPHX2LMNACA12CA1CA2
SCHEMBL5016267 0.80 LMNA (0.52) EPHX2LMNAKMT2AHSD17B10TDP1
SCHEMBL10554751 0.80 LMNA (0.57) EPHX2LMNACA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed